tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate

C16H22FN3O2 — CID 86721008

IUPACtert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate
SMILESCN1CC=C(c2c(F)cncc2NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H22FN3O2/c1-16(2,3)22-15(21)19-13-10-18-9-12(17)14(13)11-5-7-20(4)8-6-11/h5,9-10H,6-8H2,1-4H3,(H,19,21)
InChIKeyMHLDQSGLSZTCJF-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.29
Rot. Bonds2

About tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate

tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate (PubChem CID 86721008) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate
PubChem CID86721008
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Nametert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate
SMILESCN1CC=C(c2c(F)cncc2NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H22FN3O2/c1-16(2,3)22-15(21)19-13-10-18-9-12(17)14(13)11-5-7-20(4)8-6-11/h5,9-10H,6-8H2,1-4H3,(H,19,21)
InChIKeyMHLDQSGLSZTCJF-UHFFFAOYSA-N
XLogP3.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
CID 175912943
tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
CID 133060985
tert-butyl N-(2,3,5-trifluoro-4-methylphenyl)carbamate
CID 170026832
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid
CID 83387273
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate
CID 138750883
tert-butyl N-(5-fluoro-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 156715468
tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate
CID 139405648
tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]thiophen-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 69360335
2,5-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 122204937
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate (CID 86721008) is tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate is CN1CC=C(c2c(F)cncc2NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate?
The InChIKey is MHLDQSGLSZTCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-16(2,3)22-15(21)19-13-10-18-9-12(17)14(13)11-5-7-20(4)8-6-11/h5,9-10H,6-8H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate?
tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate has a molecular weight of 307.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 86721008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).